CID 15179

N-methyl-n-2-propynyl-1-indanamine

Structural Information

Molecular Formula
C13H15N
SMILES
CN(CC#C)C1CCC2=CC=CC=C12
InChI
InChI=1S/C13H15N/c1-3-10-14(2)13-9-8-11-6-4-5-7-12(11)13/h1,4-7,13H,8-10H2,2H3
InChIKey
CSVGVHNFFZWQJU-UHFFFAOYSA-N
Compound name
N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

247
Patents

185.12045 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.127726 145.7
[M+Na]+ 208.109668 155.4
[M-H]- 184.113174 149.3
[M+NH4]+ 203.154273 166.2
[M+K]+ 224.083608 149.6
[M+H-H2O]+ 168.117710 133.6
[M+HCOO]- 230.118651 163.8
[M+CH3COO]- 244.134301 196.3
[M+Na-2H]- 206.095116 149.2
[M]+ 185.11990142 139.9
[M]- 185.12099858 139.9
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