CID 2771550

2-isocyano-n,n-dimethylethanamine

Structural Information

Molecular Formula
C5H10N2
SMILES
CN(C)CC[N+]#[C-]
InChI
InChI=1S/C5H10N2/c1-6-4-5-7(2)3/h4-5H2,2-3H3
InChIKey
ZWBMLNOJOQRAMW-UHFFFAOYSA-N
Compound name
2-isocyano-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

98.0844 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.091676 122.6
[M+Na]+ 121.07362 131.1
[M-H]- 97.077124 123.5
[M+NH4]+ 116.11822 143.2
[M+K]+ 137.04756 127.2
[M+H-H2O]+ 81.081660 116.1
[M+HCOO]- 143.08260 143.7
[M+CH3COO]- 157.09825 178.3
[M+Na-2H]- 119.05907 130.0
[M]+ 98.083851 115.7
[M]- 98.084949 115.7
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