CID 118992680

Cis-tert-butyl 3-(aminomethyl)-2-methylpyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C11H22N2O2
SMILES
C[C@@H]1[C@@H](CCN1C(=O)OC(C)(C)C)CN
InChI
InChI=1S/C11H22N2O2/c1-8-9(7-12)5-6-13(8)10(14)15-11(2,3)4/h8-9H,5-7,12H2,1-4H3/t8-,9+/m1/s1
InChIKey
ZEGUGBZHMDGDJD-BDAKNGLRSA-N
Compound name
tert-butyl (2R,3S)-3-(aminomethyl)-2-methylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

214.16812 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.175396 152.8
[M+Na]+ 237.157338 158.8
[M-H]- 213.160844 154.4
[M+NH4]+ 232.201943 172.0
[M+K]+ 253.131278 157.9
[M+H-H2O]+ 197.165380 147.1
[M+HCOO]- 259.166321 171.7
[M+CH3COO]- 273.181971 189.7
[M+Na-2H]- 235.142786 153.3
[M]+ 214.16757142 151.6
[M]- 214.16866858 151.6
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