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

26
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]+ 121.073618 131.1
[M-H]- 97.077124 123.5
[M+NH4]+ 116.118223 143.2
[M+K]+ 137.047558 127.2
[M+H-H2O]+ 81.081660 116.1
[M+HCOO]- 143.082601 143.7
[M+CH3COO]- 157.098251 178.3
[M+Na-2H]- 119.059066 130.0
[M]+ 98.08385142 115.7
[M]- 98.08494858 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