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]+ 244.154336 156.2
[M+Na]+ 266.136278 162.1
[M-H]- 242.139784 156.9
[M+NH4]+ 261.180883 175.6
[M+K]+ 282.110218 161.8
[M+H-H2O]+ 226.144320 152.0
[M+HCOO]- 288.145261 172.6
[M+CH3COO]- 302.160911 188.3
[M+Na-2H]- 264.121726 157.8
[M]+ 243.14651142 156.9
[M]- 243.14760858 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.