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

5
Patents

180.12627 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.133546 140.7
[M+Na]+ 203.115488 146.2
[M-H]- 179.118994 142.5
[M+NH4]+ 198.160093 159.3
[M+K]+ 219.089428 143.7
[M+H-H2O]+ 163.123530 134.5
[M+HCOO]- 225.124471 164.1
[M+CH3COO]- 239.140121 185.0
[M+Na-2H]- 201.100936 145.4
[M]+ 180.12572142 137.7
[M]- 180.12681858 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