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]+ 192.149516 142.6
[M+Na]+ 214.131458 148.6
[M-H]- 190.134964 146.9
[M+NH4]+ 209.176063 161.5
[M+K]+ 230.105398 145.0
[M+H-H2O]+ 174.139500 134.9
[M+HCOO]- 236.140441 165.4
[M+CH3COO]- 250.156091 187.0
[M+Na-2H]- 212.116906 145.2
[M]+ 191.14169142 136.5
[M]- 191.14278858 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