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]+ 162.12773 132.8
[M+Na]+ 184.10967 142.9
[M-H]- 160.11317 140.8
[M+NH4]+ 179.15427 152.4
[M+K]+ 200.08361 141.4
[M+H-H2O]+ 144.11771 128.4
[M+HCOO]- 206.11865 157.1
[M+CH3COO]- 220.13430 183.8
[M+Na-2H]- 182.09512 141.3
[M]+ 161.11990 134.3
[M]- 161.12100 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