CID 11459728

(3r,4r)-(-)-3,4-diamino-1-benzylpyrrolidine

Structural Information

Molecular Formula
C11H17N3
SMILES
C1[C@H]([C@@H](CN1CC2=CC=CC=C2)N)N
InChI
InChI=1S/C11H17N3/c12-10-7-14(8-11(10)13)6-9-4-2-1-3-5-9/h1-5,10-11H,6-8,12-13H2/t10-,11-/m1/s1
InChIKey
HEARQVUKBKMUPY-GHMZBOCLSA-N
Compound name
(3R,4R)-1-benzylpyrrolidine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

191.14224 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.14952 142.6
[M+Na]+ 214.13146 148.6
[M-H]- 190.13496 146.9
[M+NH4]+ 209.17606 161.5
[M+K]+ 230.10540 145.0
[M+H-H2O]+ 174.13950 134.9
[M+HCOO]- 236.14044 165.4
[M+CH3COO]- 250.15609 187.0
[M+Na-2H]- 212.11691 145.2
[M]+ 191.14169 136.5
[M]- 191.14279 136.5
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