CID 136495

3-(butylamino)propionitrile

Structural Information

Molecular Formula
C7H14N2
SMILES
CCCCNCCC#N
InChI
InChI=1S/C7H14N2/c1-2-3-6-9-7-4-5-8/h9H,2-4,6-7H2,1H3
InChIKey
FPGVMJDQNJEAJM-UHFFFAOYSA-N
Compound name
3-(butylamino)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

126.1157 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.12298 125.9
[M+Na]+ 149.10492 133.7
[M-H]- 125.10842 126.5
[M+NH4]+ 144.14952 145.8
[M+K]+ 165.07886 133.1
[M+H-H2O]+ 109.11296 114.4
[M+HCOO]- 171.11390 146.8
[M+CH3COO]- 185.12955 189.1
[M+Na-2H]- 147.09037 132.7
[M]+ 126.11515 121.8
[M]- 126.11625 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