CID 854070

(r)-(+)-1-boc-3-aminopyrrolidine

Structural Information

Molecular Formula
C9H18N2O2
SMILES
CC(C)(C)OC(=O)N1CC[C@H](C1)N
InChI
InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6,10H2,1-3H3/t7-/m1/s1
InChIKey
CMIBWIAICVBURI-SSDOTTSWSA-N
Compound name
tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6474
Patents

186.13683 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.144106 144.2
[M+Na]+ 209.126048 150.1
[M-H]- 185.129554 145.7
[M+NH4]+ 204.170653 164.1
[M+K]+ 225.099988 149.7
[M+H-H2O]+ 169.134090 138.4
[M+HCOO]- 231.135031 163.7
[M+CH3COO]- 245.150681 182.4
[M+Na-2H]- 207.111496 146.3
[M]+ 186.13628142 141.8
[M]- 186.13737858 141.8
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