CID 203243

14056-65-6

Structural Information

Molecular Formula
C7H11NO2
SMILES
CC(C)C(C#C)OC(=O)N
InChI
InChI=1S/C7H11NO2/c1-4-6(5(2)3)10-7(8)9/h1,5-6H,2-3H3,(H2,8,9)
InChIKey
LMIOSZBCJOOCPZ-UHFFFAOYSA-N
Compound name
4-methylpent-1-yn-3-yl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.07898 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.086256 132.2
[M+Na]+ 164.068198 140.1
[M-H]- 140.071704 131.4
[M+NH4]+ 159.112803 150.8
[M+K]+ 180.042138 139.9
[M+H-H2O]+ 124.076240 121.3
[M+HCOO]- 186.077181 148.3
[M+CH3COO]- 200.092831 186.1
[M+Na-2H]- 162.053646 133.6
[M]+ 141.07843142 126.2
[M]- 141.07952858 126.2
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

No patent data available for this compound.