CID 18475217

N-[2-methyl-4-(oxiranylmethoxy)phenyl]-n-(oxiranylmethyl)oxiranemethanamine

Structural Information

Molecular Formula
C16H21NO4
SMILES
CC1=C(C=CC(=C1)OCC2CO2)N(CC3CO3)CC4CO4
InChI
InChI=1S/C16H21NO4/c1-11-4-12(18-9-15-10-21-15)2-3-16(11)17(5-13-7-19-13)6-14-8-20-14/h2-4,13-15H,5-10H2,1H3
InChIKey
IWRZKNMUSBNOOD-UHFFFAOYSA-N
Compound name
2-methyl-4-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

574
Patents

291.14706 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.15434 178.9
[M+Na]+ 314.13628 181.9
[M-H]- 290.13978 190.4
[M+NH4]+ 309.18088 175.8
[M+K]+ 330.11022 186.1
[M+H-H2O]+ 274.14432 172.2
[M+HCOO]- 336.14526 192.5
[M+CH3COO]- 350.16091 223.8
[M+Na-2H]- 312.12173 179.2
[M]+ 291.14651 187.3
[M]- 291.14761 187.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe