CID 72218566

1393554-08-9

Structural Information

Molecular Formula
C11H19NO2
SMILES
CC(C)(C)OC(=O)NCC(C)(C)C#C
InChI
InChI=1S/C11H19NO2/c1-7-11(5,6)8-12-9(13)14-10(2,3)4/h1H,8H2,2-6H3,(H,12,13)
InChIKey
PESPDNXKRKEILP-UHFFFAOYSA-N
Compound name
tert-butyl N-(2,2-dimethylbut-3-ynyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.14159 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.14887 150.8
[M+Na]+ 220.13081 158.4
[M-H]- 196.13431 150.5
[M+NH4]+ 215.17541 168.1
[M+K]+ 236.10475 157.8
[M+H-H2O]+ 180.13885 140.5
[M+HCOO]- 242.13979 165.4
[M+CH3COO]- 256.15544 195.4
[M+Na-2H]- 218.11626 154.7
[M]+ 197.14104 147.2
[M]- 197.14214 147.2
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.