CID 56430

4-(dimethylamino)butyronitrile

Structural Information

Molecular Formula
C6H12N2
SMILES
CN(C)CCCC#N
InChI
InChI=1S/C6H12N2/c1-8(2)6-4-3-5-7/h3-4,6H2,1-2H3
InChIKey
HCLFLZTVKYHLCF-UHFFFAOYSA-N
Compound name
4-(dimethylamino)butanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

127
Patents

112.10005 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.10733 122.1
[M+Na]+ 135.08927 130.4
[M-H]- 111.09277 124.2
[M+NH4]+ 130.13387 143.1
[M+K]+ 151.06321 131.2
[M+H-H2O]+ 95.097310 110.6
[M+HCOO]- 157.09825 143.8
[M+CH3COO]- 171.11390 189.6
[M+Na-2H]- 133.07472 128.7
[M]+ 112.09950 118.8
[M]- 112.10060 118.8
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