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

37
Patents

126.1157 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.12298 127.6
[M+Na]+ 149.10492 135.3
[M-H]- 125.10842 129.6
[M+NH4]+ 144.14952 148.0
[M+K]+ 165.07886 136.3
[M+H-H2O]+ 109.11296 116.0
[M+HCOO]- 171.11390 148.1
[M+CH3COO]- 185.12955 193.1
[M+Na-2H]- 147.09037 132.4
[M]+ 126.11515 124.0
[M]- 126.11625 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