CID 209572

20013-84-7

Structural Information

Molecular Formula
C10H16N2O
SMILES
CC1=CC=CC=C1NCC(CN)O
InChI
InChI=1S/C10H16N2O/c1-8-4-2-3-5-10(8)12-7-9(13)6-11/h2-5,9,12-13H,6-7,11H2,1H3
InChIKey
XDXVSGHLJCMRQS-UHFFFAOYSA-N
Compound name
1-amino-3-(2-methylanilino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

180.12627 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.13355 140.7
[M+Na]+ 203.11549 146.2
[M-H]- 179.11899 142.5
[M+NH4]+ 198.16009 159.3
[M+K]+ 219.08943 143.7
[M+H-H2O]+ 163.12353 134.5
[M+HCOO]- 225.12447 164.1
[M+CH3COO]- 239.14012 185.0
[M+Na-2H]- 201.10094 145.4
[M]+ 180.12572 137.7
[M]- 180.12682 137.7
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