CID 31676

7-aminoheptanenitrile

Structural Information

Molecular Formula
C7H14N2
SMILES
C(CCCN)CCC#N
InChI
InChI=1S/C7H14N2/c8-6-4-2-1-3-5-7-9/h1-6,8H2
InChIKey
BWOPSPUFLXTNEX-UHFFFAOYSA-N
Compound name
7-aminoheptanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

168
Patents

126.1157 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.12298 126.5
[M+Na]+ 149.10492 134.3
[M-H]- 125.10842 126.7
[M+NH4]+ 144.14952 146.2
[M+K]+ 165.07886 133.4
[M+H-H2O]+ 109.11296 115.1
[M+HCOO]- 171.11390 146.9
[M+CH3COO]- 185.12955 188.5
[M+Na-2H]- 147.09037 132.3
[M]+ 126.11515 121.5
[M]- 126.11625 121.5
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