CID 12735618

2,3-dihydro-1h-isoindol-2-amine hydrochloride

Structural Information

Molecular Formula
C8H10N2
SMILES
C1C2=CC=CC=C2CN1N
InChI
InChI=1S/C8H10N2/c9-10-5-7-3-1-2-4-8(7)6-10/h1-4H,5-6,9H2
InChIKey
NKWOXRUJRCMCBH-UHFFFAOYSA-N
Compound name
1,3-dihydroisoindol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

134.0844 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.09168 125.0
[M+Na]+ 157.07362 133.4
[M-H]- 133.07712 127.9
[M+NH4]+ 152.11822 148.1
[M+K]+ 173.04756 130.8
[M+H-H2O]+ 117.08166 119.0
[M+HCOO]- 179.08260 148.4
[M+CH3COO]- 193.09825 139.2
[M+Na-2H]- 155.05907 132.2
[M]+ 134.08385 121.9
[M]- 134.08495 121.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe