CID 1514397

(r)-tert-butyl pyrrolidin-3-ylcarbamate

Structural Information

Molecular Formula
C9H18N2O2
SMILES
CC(C)(C)OC(=O)N[C@@H]1CCNC1
InChI
InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-7-4-5-10-6-7/h7,10H,4-6H2,1-3H3,(H,11,12)/t7-/m1/s1
InChIKey
DQQJBEAXSOOCPG-SSDOTTSWSA-N
Compound name
tert-butyl N-[(3R)-pyrrolidin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7692
Patents

186.13683 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.144106 144.9
[M+Na]+ 209.126048 149.4
[M-H]- 185.129554 145.1
[M+NH4]+ 204.170653 164.0
[M+K]+ 225.099988 148.5
[M+H-H2O]+ 169.134090 138.9
[M+HCOO]- 231.135031 163.5
[M+CH3COO]- 245.150681 179.3
[M+Na-2H]- 207.111496 148.2
[M]+ 186.13628142 141.2
[M]- 186.13737858 141.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe