CID 79689677

1502054-70-7

Structural Information

Molecular Formula
C12H16N2
SMILES
CC1=C(C=CC(=C1)N2CC3(C2)CC3)N
InChI
InChI=1S/C12H16N2/c1-9-6-10(2-3-11(9)13)14-7-12(8-14)4-5-12/h2-3,6H,4-5,7-8,13H2,1H3
InChIKey
NQHQTVPOGDMMQL-UHFFFAOYSA-N
Compound name
4-(5-azaspiro[2.3]hexan-5-yl)-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.13135 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.13863 142.0
[M+Na]+ 211.12057 151.1
[M-H]- 187.12407 150.0
[M+NH4]+ 206.16517 151.8
[M+K]+ 227.09451 150.6
[M+H-H2O]+ 171.12861 130.8
[M+HCOO]- 233.12955 163.2
[M+CH3COO]- 247.14520 192.1
[M+Na-2H]- 209.10602 148.1
[M]+ 188.13080 150.3
[M]- 188.13190 150.3
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.