CID 18348898

3-[(2,2-dimethylpropyl)amino]propanenitrile

Structural Information

Molecular Formula
C8H16N2
SMILES
CC(C)(C)CNCCC#N
InChI
InChI=1S/C8H16N2/c1-8(2,3)7-10-6-4-5-9/h10H,4,6-7H2,1-3H3
InChIKey
IDTPNXPTARMCAY-UHFFFAOYSA-N
Compound name
3-(2,2-dimethylpropylamino)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

140.13135 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.13863 133.9
[M+Na]+ 163.12057 141.7
[M-H]- 139.12407 134.7
[M+NH4]+ 158.16517 153.5
[M+K]+ 179.09451 141.3
[M+H-H2O]+ 123.12861 122.9
[M+HCOO]- 185.12955 153.1
[M+CH3COO]- 199.14520 191.5
[M+Na-2H]- 161.10602 140.3
[M]+ 140.13080 129.6
[M]- 140.13190 129.6
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