CID 1514454

199175-10-5

Structural Information

Molecular Formula
C10H20N2O2
SMILES
CC(C)(C)OC(=O)N1CC[C@H](C1)CN
InChI
InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-5-4-8(6-11)7-12/h8H,4-7,11H2,1-3H3/t8-/m0/s1
InChIKey
OGCCBDIYOAFOGK-QMMMGPOBSA-N
Compound name
tert-butyl (3S)-3-(aminomethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1264
Patents

200.15248 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.159756 148.8
[M+Na]+ 223.141698 154.2
[M-H]- 199.145204 150.1
[M+NH4]+ 218.186303 168.2
[M+K]+ 239.115638 153.6
[M+H-H2O]+ 183.149740 142.8
[M+HCOO]- 245.150681 168.0
[M+CH3COO]- 259.166331 185.4
[M+Na-2H]- 221.127146 150.4
[M]+ 200.15193142 146.8
[M]- 200.15302858 146.8
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