CID 98730053

Rac-(1r,3s)-1-isocyano-3-(methoxycarbonyl)cyclopentane

Structural Information

Molecular Formula
C8H11NO2
SMILES
COC(=O)[C@@H]1CC[C@@H](C1)[N+]#[C-]
InChI
InChI=1S/C8H11NO2/c1-9-7-4-3-6(5-7)8(10)11-2/h6-7H,3-5H2,2H3/t6-,7+/m1/s1
InChIKey
MZASEIUSPUANQD-RQJHMYQMSA-N
Compound name
cis-methyl (1R,3S)-3-isocyanocyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.07898 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.086256 138.7
[M+Na]+ 176.068198 147.4
[M-H]- 152.071704 140.7
[M+NH4]+ 171.112803 158.4
[M+K]+ 192.042138 140.5
[M+H-H2O]+ 136.076240 131.7
[M+HCOO]- 198.077181 156.8
[M+CH3COO]- 212.092831 178.8
[M+Na-2H]- 174.053646 142.2
[M]+ 153.07843142 129.6
[M]- 153.07952858 129.6
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.