CID 589650

2,2-dimethyl-1-phenylcyclopropan-1-amine

Structural Information

Molecular Formula
C11H15N
SMILES
CC1(CC1(C2=CC=CC=C2)N)C
InChI
InChI=1S/C11H15N/c1-10(2)8-11(10,12)9-6-4-3-5-7-9/h3-7H,8,12H2,1-2H3
InChIKey
MCSHOUUMXJSRQD-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1-phenylcyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

161.12045 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.127726 132.8
[M+Na]+ 184.109668 142.9
[M-H]- 160.113174 140.8
[M+NH4]+ 179.154273 152.4
[M+K]+ 200.083608 141.4
[M+H-H2O]+ 144.117710 128.4
[M+HCOO]- 206.118651 157.1
[M+CH3COO]- 220.134301 183.8
[M+Na-2H]- 182.095116 141.3
[M]+ 161.11990142 134.3
[M]- 161.12099858 134.3
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

patents stripe