CID 2507863

2-methyl-2-[(propan-2-yl)amino]propanenitrile

Structural Information

Molecular Formula
C7H14N2
SMILES
CC(C)NC(C)(C)C#N
InChI
InChI=1S/C7H14N2/c1-6(2)9-7(3,4)5-8/h6,9H,1-4H3
InChIKey
DIVFMQDYRZEDFX-UHFFFAOYSA-N
Compound name
2-methyl-2-(propan-2-ylamino)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

126.1157 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.12298 130.8
[M+Na]+ 149.10492 138.6
[M-H]- 125.10842 131.8
[M+NH4]+ 144.14952 150.7
[M+K]+ 165.07886 138.9
[M+H-H2O]+ 109.11296 119.9
[M+HCOO]- 171.11390 149.4
[M+CH3COO]- 185.12955 190.1
[M+Na-2H]- 147.09037 136.4
[M]+ 126.11515 125.5
[M]- 126.11625 125.5
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