CID 165950384

En300-1289149

Structural Information

Molecular Formula
C12H21NO2S
SMILES
CC(C)(C)OC(=O)NC1CC(C12CCC2)S
InChI
InChI=1S/C12H21NO2S/c1-11(2,3)15-10(14)13-8-7-9(16)12(8)5-4-6-12/h8-9,16H,4-7H2,1-3H3,(H,13,14)
InChIKey
KNXCQCIAIDFMGJ-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-sulfanylspiro[3.3]heptan-1-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.1293 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.13658 149.3
[M+Na]+ 266.11852 150.2
[M-H]- 242.12202 153.4
[M+NH4]+ 261.16312 155.3
[M+K]+ 282.09246 154.8
[M+H-H2O]+ 226.12656 134.1
[M+HCOO]- 288.12750 160.1
[M+CH3COO]- 302.14315 204.2
[M+Na-2H]- 264.10397 150.4
[M]+ 243.12875 166.0
[M]- 243.12985 166.0
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.