CID 16124720

721968-86-1

Structural Information

Molecular Formula
C12H17NSi
SMILES
C[Si](C)(C)C#CC1=CC=C(C=C1)CN
InChI
InChI=1S/C12H17NSi/c1-14(2,3)9-8-11-4-6-12(10-13)7-5-11/h4-7H,10,13H2,1-3H3
InChIKey
PRIMLIQJCZQUST-UHFFFAOYSA-N
Compound name
[4-(2-trimethylsilylethynyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

203.11302 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.12030 151.3
[M+Na]+ 226.10224 160.3
[M-H]- 202.10574 152.9
[M+NH4]+ 221.14684 168.7
[M+K]+ 242.07618 155.7
[M+H-H2O]+ 186.11028 139.7
[M+HCOO]- 248.11122 167.6
[M+CH3COO]- 262.12687 193.8
[M+Na-2H]- 224.08769 154.9
[M]+ 203.11247 144.6
[M]- 203.11357 144.6
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