CID 182298

2-[(2-ethyl-6-methylphenyl)amino]-1-propanol

Structural Information

Molecular Formula
C12H19NO
SMILES
CCC1=CC=CC(=C1NC(C)CO)C
InChI
InChI=1S/C12H19NO/c1-4-11-7-5-6-9(2)12(11)13-10(3)8-14/h5-7,10,13-14H,4,8H2,1-3H3
InChIKey
ALFXNLHLMQREPR-UHFFFAOYSA-N
Compound name
2-(2-ethyl-6-methylanilino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

10
Patents

193.14667 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.15395 145.4
[M+Na]+ 216.13589 151.8
[M-H]- 192.13939 147.8
[M+NH4]+ 211.18049 164.4
[M+K]+ 232.10983 149.3
[M+H-H2O]+ 176.14393 139.6
[M+HCOO]- 238.14487 167.7
[M+CH3COO]- 252.16052 187.8
[M+Na-2H]- 214.12134 149.1
[M]+ 193.14612 145.3
[M]- 193.14722 145.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe