CID 18453395

862700-37-6

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C1)C(=O)OC
InChI
InChI=1S/C12H21NO4/c1-12(2,3)17-11(15)13-9-6-5-8(7-9)10(14)16-4/h8-9H,5-7H2,1-4H3,(H,13,15)/t8-,9-/m1/s1
InChIKey
ZZGMDDXYOHHJMT-RKDXNWHRSA-N
Compound name
trans-methyl (1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

243.14706 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.154336 157.3
[M+Na]+ 266.136278 161.9
[M-H]- 242.139784 160.4
[M+NH4]+ 261.180883 176.4
[M+K]+ 282.110218 162.2
[M+H-H2O]+ 226.144320 152.0
[M+HCOO]- 288.145261 177.5
[M+CH3COO]- 302.160911 193.0
[M+Na-2H]- 264.121726 158.2
[M]+ 243.14651142 158.1
[M]- 243.14760858 158.1
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