CID 89832862

1391738-62-7

Structural Information

Molecular Formula
C11H17NO2
SMILES
CC(C)(C)OC(=O)NC1(CC1)CC#C
InChI
InChI=1S/C11H17NO2/c1-5-6-11(7-8-11)12-9(13)14-10(2,3)4/h1H,6-8H2,2-4H3,(H,12,13)
InChIKey
FEPUMFNTBZSUSP-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-prop-2-ynylcyclopropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

195.12593 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.133206 144.6
[M+Na]+ 218.115148 158.8
[M-H]- 194.118654 150.0
[M+NH4]+ 213.159753 161.1
[M+K]+ 234.089088 153.6
[M+H-H2O]+ 178.123190 137.1
[M+HCOO]- 240.124131 162.5
[M+CH3COO]- 254.139781 195.9
[M+Na-2H]- 216.100596 151.4
[M]+ 195.12538142 145.1
[M]- 195.12647858 145.1
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