CID 20288957

Propanenitrile, 3-((2-hydroxypropyl)amino

Structural Information

Molecular Formula
C6H12N2O
SMILES
CC(CNCCC#N)O
InChI
InChI=1S/C6H12N2O/c1-6(9)5-8-4-2-3-7/h6,8-9H,2,4-5H2,1H3
InChIKey
FRPNNEBJBVHETK-UHFFFAOYSA-N
Compound name
3-(2-hydroxypropylamino)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

128.09496 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.10224 127.3
[M+Na]+ 151.08418 134.8
[M-H]- 127.08768 126.8
[M+NH4]+ 146.12878 146.3
[M+K]+ 167.05812 134.5
[M+H-H2O]+ 111.09222 116.0
[M+HCOO]- 173.09316 146.5
[M+CH3COO]- 187.10881 186.5
[M+Na-2H]- 149.06963 132.7
[M]+ 128.09441 121.8
[M]- 128.09551 121.8
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