CID 3039625

1-pyrroline, 2-amino-5-methyl-4-phenyl-, (z)-

Structural Information

Molecular Formula
C11H14N2
SMILES
C[C@@H]1[C@@H](CC(=N1)N)C2=CC=CC=C2
InChI
InChI=1S/C11H14N2/c1-8-10(7-11(12)13-8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H2,12,13)/t8-,10-/m1/s1
InChIKey
NGNYHARQUMXJAI-PSASIEDQSA-N
Compound name
(2R,3S)-2-methyl-3-phenyl-3,4-dihydro-2H-pyrrol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.11569 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.122966 137.4
[M+Na]+ 197.104908 145.4
[M-H]- 173.108414 142.7
[M+NH4]+ 192.149513 157.9
[M+K]+ 213.078848 142.0
[M+H-H2O]+ 157.112950 130.3
[M+HCOO]- 219.113891 161.4
[M+CH3COO]- 233.129541 182.3
[M+Na-2H]- 195.090356 141.6
[M]+ 174.11514142 134.5
[M]- 174.11623858 134.5
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

No patent data available for this compound.