CID 18356524

180002-30-6

Structural Information

Molecular Formula
C9H12N2
SMILES
C1CC2=C(C1N)C=C(C=C2)N
InChI
InChI=1S/C9H12N2/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5,9H,2,4,10-11H2
InChIKey
ZYOXBKDMGPKLBH-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-indene-1,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

148.10005 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.10733 128.7
[M+Na]+ 171.08927 136.7
[M-H]- 147.09277 132.7
[M+NH4]+ 166.13387 152.2
[M+K]+ 187.06321 133.5
[M+H-H2O]+ 131.09731 123.4
[M+HCOO]- 193.09825 153.3
[M+CH3COO]- 207.11390 179.7
[M+Na-2H]- 169.07472 134.1
[M]+ 148.09950 124.1
[M]- 148.10060 124.1
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