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 138.7
[M+Na]+ 177.13622 145.9
[M-H]- 153.13972 139.4
[M+NH4]+ 172.18082 157.7
[M+K]+ 193.11016 145.7
[M+H-H2O]+ 137.14426 127.6
[M+HCOO]- 199.14520 156.8
[M+CH3COO]- 213.16085 195.6
[M+Na-2H]- 175.12167 143.5
[M]+ 154.14645 134.2
[M]- 154.14755 134.2
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.