CID 11298644

Tert-butyl n-[1-(sulfanylmethyl)cyclopropyl]carbamate

Structural Information

Molecular Formula
C9H17NO2S
SMILES
CC(C)(C)OC(=O)NC1(CC1)CS
InChI
InChI=1S/C9H17NO2S/c1-8(2,3)12-7(11)10-9(6-13)4-5-9/h13H,4-6H2,1-3H3,(H,10,11)
InChIKey
BEPPDGJTELEGPK-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(sulfanylmethyl)cyclopropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

203.098 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.105276 142.7
[M+Na]+ 226.087218 150.4
[M-H]- 202.090724 147.2
[M+NH4]+ 221.131823 159.3
[M+K]+ 242.061158 149.2
[M+H-H2O]+ 186.095260 138.0
[M+HCOO]- 248.096201 159.4
[M+CH3COO]- 262.111851 188.1
[M+Na-2H]- 224.072666 147.1
[M]+ 203.09745142 148.7
[M]- 203.09854858 148.7
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

patents stripe