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

15
Patents

126.1157 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.12298 129.6
[M+Na]+ 149.10492 137.7
[M-H]- 125.10842 130.5
[M+NH4]+ 144.14952 149.6
[M+K]+ 165.07886 137.6
[M+H-H2O]+ 109.11296 118.7
[M+HCOO]- 171.11390 149.1
[M+CH3COO]- 185.12955 189.4
[M+Na-2H]- 147.09037 136.5
[M]+ 126.11515 125.0
[M]- 126.11625 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