CID 51985

(1,1,3-trimethylbutylamino)acetonitrile hydrochloride

Structural Information

Molecular Formula
C9H18N2
SMILES
CC(C)CC(C)(C)NCC#N
InChI
InChI=1S/C9H18N2/c1-8(2)7-9(3,4)11-6-5-10/h8,11H,6-7H2,1-4H3
InChIKey
MNFFRXNWQVAJRF-UHFFFAOYSA-N
Compound name
2-(2,4-dimethylpentan-2-ylamino)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.147 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.15428 138.2
[M+Na]+ 177.13622 146.7
[M+NH4]+ 172.18082 142.4
[M+K]+ 193.11016 138.8
[M-H]- 153.13972 130.9
[M+Na-2H]- 175.12167 139.4
[M]+ 154.14645 136.4
[M]- 154.14755 136.4
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

No patent data available for this compound.