CID 115045012

1892821-93-0

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC1(CCCN1C(=O)OC(C)(C)C)CC(=O)O
InChI
InChI=1S/C12H21NO4/c1-11(2,3)17-10(16)13-7-5-6-12(13,4)8-9(14)15/h5-8H2,1-4H3,(H,14,15)
InChIKey
BITMKUYDJJJZPD-UHFFFAOYSA-N
Compound name
2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.14706 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 156.2
[M+Na]+ 266.13628 162.1
[M-H]- 242.13978 156.9
[M+NH4]+ 261.18088 175.6
[M+K]+ 282.11022 161.8
[M+H-H2O]+ 226.14432 152.0
[M+HCOO]- 288.14526 172.6
[M+CH3COO]- 302.16091 188.3
[M+Na-2H]- 264.12173 157.8
[M]+ 243.14651 156.9
[M]- 243.14761 156.9
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.