CID 10486859

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

Structural Information

Molecular Formula
C7H14N2
SMILES
CC(C)N(C)CCC#N
InChI
InChI=1S/C7H14N2/c1-7(2)9(3)6-4-5-8/h7H,4,6H2,1-3H3
InChIKey
KLRXOQGSWRYLJJ-UHFFFAOYSA-N
Compound name
3-[methyl(propan-2-yl)amino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

126.1157 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.122976 127.6
[M+Na]+ 149.104918 135.3
[M-H]- 125.108424 129.6
[M+NH4]+ 144.149523 148.0
[M+K]+ 165.078858 136.3
[M+H-H2O]+ 109.112960 116.0
[M+HCOO]- 171.113901 148.1
[M+CH3COO]- 185.129551 193.1
[M+Na-2H]- 147.090366 132.4
[M]+ 126.11515142 124.0
[M]- 126.11624858 124.0
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