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]+ 196.13321 144.6
[M+Na]+ 218.11515 158.8
[M-H]- 194.11865 150.0
[M+NH4]+ 213.15975 161.1
[M+K]+ 234.08909 153.6
[M+H-H2O]+ 178.12319 137.1
[M+HCOO]- 240.12413 162.5
[M+CH3COO]- 254.13978 195.9
[M+Na-2H]- 216.10060 151.4
[M]+ 195.12538 145.1
[M]- 195.12648 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