CID 12724400

2-methyl-2-(propylamino)propanenitrile

Structural Information

Molecular Formula
C7H14N2
SMILES
CCCNC(C)(C)C#N
InChI
InChI=1S/C7H14N2/c1-4-5-9-7(2,3)6-8/h9H,4-5H2,1-3H3
InChIKey
GBHLFBASZRNXIE-UHFFFAOYSA-N
Compound name
2-methyl-2-(propylamino)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

126.1157 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.122976 129.6
[M+Na]+ 149.104918 137.7
[M-H]- 125.108424 130.5
[M+NH4]+ 144.149523 149.6
[M+K]+ 165.078858 137.6
[M+H-H2O]+ 109.112960 118.7
[M+HCOO]- 171.113901 149.1
[M+CH3COO]- 185.129551 189.4
[M+Na-2H]- 147.090366 136.5
[M]+ 126.11515142 125.0
[M]- 126.11624858 125.0
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

patents stripe