CID 2530247

2-(cyclopropylamino)-2-methylpropanenitrile

Structural Information

Molecular Formula
C7H12N2
SMILES
CC(C)(C#N)NC1CC1
InChI
InChI=1S/C7H12N2/c1-7(2,5-8)9-6-3-4-6/h6,9H,3-4H2,1-2H3
InChIKey
SBWSWYVBEZGYLW-UHFFFAOYSA-N
Compound name
2-(cyclopropylamino)-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

124.10005 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.10733 125.0
[M+Na]+ 147.08927 139.0
[M-H]- 123.09277 131.4
[M+NH4]+ 142.13387 142.3
[M+K]+ 163.06321 134.7
[M+H-H2O]+ 107.09731 116.1
[M+HCOO]- 169.09825 146.7
[M+CH3COO]- 183.11390 190.9
[M+Na-2H]- 145.07472 134.2
[M]+ 124.09950 123.4
[M]- 124.10060 123.4
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