CID 19724

3854-11-3

Structural Information

Molecular Formula
C9H16N2O2
SMILES
CN(C)CC#CCOC(=O)N(C)C
InChI
InChI=1S/C9H16N2O2/c1-10(2)7-5-6-8-13-9(12)11(3)4/h7-8H2,1-4H3
InChIKey
TTYVHDQTAQUOLN-UHFFFAOYSA-N
Compound name
4-(dimethylamino)but-2-ynyl N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.12119 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.128466 142.2
[M+Na]+ 207.110408 149.4
[M-H]- 183.113914 144.0
[M+NH4]+ 202.155013 160.6
[M+K]+ 223.084348 150.7
[M+H-H2O]+ 167.118450 130.0
[M+HCOO]- 229.119391 161.9
[M+CH3COO]- 243.135041 199.5
[M+Na-2H]- 205.095856 144.7
[M]+ 184.12064142 140.3
[M]- 184.12173858 140.3
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.