CID 2771551

(3-isocyanopropyl)dimethylamine

Structural Information

Molecular Formula
C6H12N2
SMILES
CN(C)CCC[N+]#[C-]
InChI
InChI=1S/C6H12N2/c1-7-5-4-6-8(2)3/h4-6H2,2-3H3
InChIKey
QFYAJJSCAMUJCH-UHFFFAOYSA-N
Compound name
3-isocyano-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
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 126.7
[M+Na]+ 135.08927 134.9
[M-H]- 111.09277 127.5
[M+NH4]+ 130.13387 146.9
[M+K]+ 151.06321 130.7
[M+H-H2O]+ 95.097310 120.1
[M+HCOO]- 157.09825 147.6
[M+CH3COO]- 171.11390 181.0
[M+Na-2H]- 133.07472 133.7
[M]+ 112.09950 120.2
[M]- 112.10060 120.2
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