CID 12510987

2-(propylamino)acetonitrile

Structural Information

Molecular Formula
C5H10N2
SMILES
CCCNCC#N
InChI
InChI=1S/C5H10N2/c1-2-4-7-5-3-6/h7H,2,4-5H2,1H3
InChIKey
YOEHYACECVSKEQ-UHFFFAOYSA-N
Compound name
2-(propylamino)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

98.0844 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.091676 118.0
[M+Na]+ 121.07362 126.5
[M-H]- 97.077124 118.9
[M+NH4]+ 116.11822 138.9
[M+K]+ 137.04756 126.4
[M+H-H2O]+ 81.081660 106.9
[M+HCOO]- 143.08260 139.5
[M+CH3COO]- 157.09825 183.7
[M+Na-2H]- 119.05907 125.7
[M]+ 98.083851 113.3
[M]- 98.084949 113.3
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