CID 29023

5-aminohexanenitrile

Structural Information

Molecular Formula
C6H12N2
SMILES
CC(CCCC#N)N
InChI
InChI=1S/C6H12N2/c1-6(8)4-2-3-5-7/h6H,2-4,8H2,1H3
InChIKey
HTXLVBCGHGHRHL-UHFFFAOYSA-N
Compound name
5-aminohexanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

112.10005 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.10733 124.4
[M+Na]+ 135.08927 132.4
[M-H]- 111.09277 124.8
[M+NH4]+ 130.13387 144.5
[M+K]+ 151.06321 132.1
[M+H-H2O]+ 95.097310 113.2
[M+HCOO]- 157.09825 144.2
[M+CH3COO]- 171.11390 186.5
[M+Na-2H]- 133.07472 129.4
[M]+ 112.09950 118.4
[M]- 112.10060 118.4
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