CID 137943428

2287279-02-9

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)N(C)CCN(C)CC#C
InChI
InChI=1S/C12H22N2O2/c1-7-8-13(5)9-10-14(6)11(15)16-12(2,3)4/h1H,8-10H2,2-6H3
InChIKey
MKLJXBHRNILMEL-UHFFFAOYSA-N
Compound name
tert-butyl N-methyl-N-[2-[methyl(prop-2-ynyl)amino]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.16812 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 156.0
[M+Na]+ 249.15734 162.3
[M-H]- 225.16084 157.6
[M+NH4]+ 244.20194 172.9
[M+K]+ 265.13128 163.5
[M+H-H2O]+ 209.16538 144.0
[M+HCOO]- 271.16632 173.4
[M+CH3COO]- 285.18197 208.4
[M+Na-2H]- 247.14279 157.6
[M]+ 226.16757 154.7
[M]- 226.16867 154.7
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

No patent data available for this compound.