CID 3039625

50901-84-3

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]+ 175.12297 137.4
[M+Na]+ 197.10491 145.4
[M-H]- 173.10841 142.7
[M+NH4]+ 192.14951 157.9
[M+K]+ 213.07885 142.0
[M+H-H2O]+ 157.11295 130.3
[M+HCOO]- 219.11389 161.4
[M+CH3COO]- 233.12954 182.3
[M+Na-2H]- 195.09036 141.6
[M]+ 174.11514 134.5
[M]- 174.11624 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.