CID 13362585

2-[(2-methylpropyl)amino]acetonitrile

Structural Information

Molecular Formula
C6H12N2
SMILES
CC(C)CNCC#N
InChI
InChI=1S/C6H12N2/c1-6(2)5-8-4-3-7/h6,8H,4-5H2,1-2H3
InChIKey
DAYCWCMZFOMJDW-UHFFFAOYSA-N
Compound name
2-(2-methylpropylamino)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

112.10005 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.10733 123.7
[M+Na]+ 135.08927 131.6
[M-H]- 111.09277 124.6
[M+NH4]+ 130.13387 144.1
[M+K]+ 151.06321 131.7
[M+H-H2O]+ 95.097310 112.5
[M+HCOO]- 157.09825 144.0
[M+CH3COO]- 171.11390 187.1
[M+Na-2H]- 133.07472 129.7
[M]+ 112.09950 118.7
[M]- 112.10060 118.7
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