CID 17079

6-aminohexanenitrile

Structural Information

Molecular Formula
C6H12N2
SMILES
C(CCC#N)CCN
InChI
InChI=1S/C6H12N2/c7-5-3-1-2-4-6-8/h1-5,7H2
InChIKey
KBMSFJFLSXLIDJ-UHFFFAOYSA-N
Compound name
6-aminohexanenitrile
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

3320
Patents

112.10005 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.10733 122.6
[M+Na]+ 135.08927 130.8
[M-H]- 111.09277 122.9
[M+NH4]+ 130.13387 142.8
[M+K]+ 151.06321 130.1
[M+H-H2O]+ 95.097310 111.4
[M+HCOO]- 157.09825 143.3
[M+CH3COO]- 171.11390 185.8
[M+Na-2H]- 133.07472 128.9
[M]+ 112.09950 117.3
[M]- 112.10060 117.3
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