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
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]+ 244.15434 157.3
[M+Na]+ 266.13628 161.9
[M-H]- 242.13978 160.4
[M+NH4]+ 261.18088 176.4
[M+K]+ 282.11022 162.2
[M+H-H2O]+ 226.14432 152.0
[M+HCOO]- 288.14526 177.5
[M+CH3COO]- 302.16091 193.0
[M+Na-2H]- 264.12173 158.2
[M]+ 243.14651 158.1
[M]- 243.14761 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